5-chloro-N-(morpholin-2-ylmethyl)-4-nitrothiophene-2-sulfonamide

C9H12ClN3O5S2 — CID 115323938

IUPAC5-chloro-N-(morpholin-2-ylmethyl)-4-nitrothiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)NCC2CNCCO2)sc1Cl
InChIInChI=1S/C9H12ClN3O5S2/c10-9-7(13(14)15)3-8(19-9)20(16,17)12-5-6-4-11-1-2-18-6/h3,6,11-12H,1-2,4-5H2
InChIKeyGQFPMYPBBHPLFW-UHFFFAOYSA-N
MW341.80 g/mol
LogP0.58
Rot. Bonds5

About 5-chloro-N-(morpholin-2-ylmethyl)-4-nitrothiophene-2-sulfonamide

5-chloro-N-(morpholin-2-ylmethyl)-4-nitrothiophene-2-sulfonamide (PubChem CID 115323938) has the molecular formula C9H12ClN3O5S2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 5-chloro-N-(morpholin-2-ylmethyl)-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(morpholin-2-ylmethyl)-4-nitrothiophene-2-sulfonamide
PubChem CID115323938
Molecular FormulaC9H12ClN3O5S2
Molecular Weight341.80 g/mol
Exact Mass340.99
IUPAC Name5-chloro-N-(morpholin-2-ylmethyl)-4-nitrothiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)NCC2CNCCO2)sc1Cl
InChIInChI=1S/C9H12ClN3O5S2/c10-9-7(13(14)15)3-8(19-9)20(16,17)12-5-6-4-11-1-2-18-6/h3,6,11-12H,1-2,4-5H2
InChIKeyGQFPMYPBBHPLFW-UHFFFAOYSA-N
XLogP0.58
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-chloro-N-(morpholin-2-ylmethyl)thiophene-2-sulfonamide
CID 115323934
5-chloro-N-(2-chloroethyl)-4-nitrothiophene-2-sulfonamide
CID 80742265
5-chloro-N-(2-iodoethyl)-4-nitrothiophene-2-sulfonamide
CID 106442151
5-hydrazinyl-4-nitro-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
CID 80741793
2,5-dibromo-N-(morpholin-2-ylmethyl)thiophene-3-sulfonamide
CID 115323961
4-nitro-N-(1,4-oxazepan-2-ylmethyl)benzenesulfonamide
CID 165494024
5-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-4-nitrothiophene-2-sulfonamide
CID 106143626
N-(morpholin-2-ylmethyl)-4-propan-2-ylbenzenesulfonamide
CID 115323924
N-(2-aminopropyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742338
5-chloro-N-[2-(ethylamino)ethyl]-4-nitrothiophene-2-sulfonamide
CID 80742406
5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-nitrothiophene-2-sulfonamide
CID 80741851
5-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-nitrothiophene-2-sulfonamide
CID 80741842

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(morpholin-2-ylmethyl)-4-nitrothiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(morpholin-2-ylmethyl)-4-nitrothiophene-2-sulfonamide (CID 115323938) is 5-chloro-N-(morpholin-2-ylmethyl)-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(morpholin-2-ylmethyl)-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(morpholin-2-ylmethyl)-4-nitrothiophene-2-sulfonamide is O=[N+]([O-])c1cc(S(=O)(=O)NCC2CNCCO2)sc1Cl.
What is the InChIKey of 5-chloro-N-(morpholin-2-ylmethyl)-4-nitrothiophene-2-sulfonamide?
The InChIKey is GQFPMYPBBHPLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O5S2/c10-9-7(13(14)15)3-8(19-9)20(16,17)12-5-6-4-11-1-2-18-6/h3,6,11-12H,1-2,4-5H2.
What are the key properties of 5-chloro-N-(morpholin-2-ylmethyl)-4-nitrothiophene-2-sulfonamide?
5-chloro-N-(morpholin-2-ylmethyl)-4-nitrothiophene-2-sulfonamide has a molecular weight of 341.80 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(morpholin-2-ylmethyl)-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 115323938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).